CID 5324610

Benzalazine

Structural Information

Molecular Formula

C₁₄H₁₂N₂

SMILES

C1=CC=C(C=C1)/C=N/N=C/C2=CC=CC=C2

InChI

InChI=1S/C14H12N2/c1-3-7-13(8-4-1)11-15-16-12-14-9-5-2-6-10-14/h1-12H/b15-11+,16-12+

InChIKey

CWLGEPSKQDNHIO-JOBJLJCHSA-N

Compound name

(E)-N-[(E)-benzylideneamino]-1-phenylmethanimine

Related CIDs

2D Structure

compound 2d structure

4
Annotation Hits: 20
References: 2559
Patents: 208.10005 Da
Monoisotopic Mass: 3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	209.10733	144.7
[M+Na]+	231.08927	151.2
[M-H]-	207.09277	153.7
[M+NH4]+	226.13387	163.9
[M+K]+	247.06321	147.8
[M+H-H2O]+	191.09731	136.3
[M+HCOO]-	253.09825	174.6
[M+CH3COO]-	267.11390	194.1
[M+Na-2H]-	229.07472	154.6
[M]+	208.09950	144.5
[M]-	208.10060	144.5

Literature stripe

literature stripe

Patent stripe

patents stripe